vasp 
  6.2.1  
  16May21 (build Apr 11 2022 11:28:20) complex                          parallel 
  Lin64 
  2025 12 03 
  23:33:32 
 
 
  No title
       0
  Normal
  Normal (blocked Davidson)
   F  
   T  
       2
       1
     200
       2
      -1
        0.00001000
       -0.02000000
       0
       2
       1
      400.00000000
        0.77000000      0.72000000      0.32000000
  Auto
       1
        0.20000000
       1
   F  
   F  
      10
       1
 
 
  
   
    
           10.00000000       0.00000000       0.00000000 
            0.00000000       8.00000000       0.00000000 
            0.00000000       0.00000000       8.00000000 
    
        640.00000000 
    
            0.10000000       0.00000000       0.00000000 
            0.00000000       0.12500000       0.00000000 
            0.00000000       0.00000000       0.12500000 
    
   
   
           0.38536299       0.42919599       0.53490934 
           0.44215257       0.54382703       0.40456828 
           0.58026355       0.52624580       0.33275750 
           0.35108773       0.58318253       0.28272263 
           0.26233800       0.48416647       0.58289777 
           0.36932881       0.26713897       0.48445042 
           0.61832071       0.67316766       0.25875275 
           0.67093564       0.48939175       0.45342635 
           0.59031705       0.40552108       0.21240790 
           0.46466813       0.42518545       0.67260408 
           0.46209324       0.74652431       0.53868299 
           0.45152174       0.94452734       0.55966165 
   
  
  
           1 
           2 
           3 
           4 
           5 
           6 
           7 
           8 
           9 
          10 
          11 
          12 
  
 
 
  
          2        2        2 
         0.00000000       0.00000000       0.00000000 
         0.50000000       0.00000000       0.00000000 
         0.00000000       0.50000000       0.00000000 
         0.00000000       0.00000000       0.50000000 
         0.00000000       0.00000000       0.00000000 
  
  
          0.00000000       0.00000000       0.00000000 
          0.50000000       0.00000000       0.00000000 
          0.00000000       0.50000000       0.00000000 
          0.00000000       0.00000000       0.50000000 
          0.50000000       0.50000000       0.00000000 
          0.50000000       0.00000000       0.50000000 
          0.00000000       0.50000000       0.50000000 
          0.50000000       0.50000000       0.50000000 
  
  
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
          0.12500000 
  
 
 
  
   No title
    F  
  
  
   normal
       400.00000000
       644.87300000
         0.00001000
       38
       10
       88
       -1
       -1
        63.00000000
        0
        0
        0
        0
         0.00000000
   
         1
          0.20000000
          0.50000000
     T  
     T  
   
   
     T  
         -0.00050000     -0.00050000     -0.00050000
      -100
         2
     F  
   
   
         0
         2
         1
   
   
         1
     T  
          1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000      1.00000000
         -1.00000000
     T  
          0.00000000      0.00000000      1.00000000
     F  
          0.00000000      0.00000000      0.00000000
     F  
   
   
     F  
     F  
   
   
       200
        -5
         2
        400.00000000
    
      T  
      F  
           0.00000000
           0.00000003
           0.30000000
          4
           0.40000000
    
   
   
          0.40000000
          1.00000000
          0.10000000
          1.60000000
          1.00000000
    
          4
      F  
        -45
         100.00000000
          1
          1
          5
    
   
   
     F  
     F  
         0
          1.00000000
       -100.00000000   -100.00000000   -100.00000000
          0.00000000
   
  
  
       50
       40
       40
      100
       80
       80
    F  
  
  
        0
       -1
        0
        2
         0.00000000
        -0.02000000
        0
         0.50000000
        -3.00000000
         1.00000000
  
  
         0.00010000
         0.00010000
        1
        1
      256
        16.00000000
  
  
        2
         0.00001000
  
  
       10
         0.77000000      0.72000000      0.32000000
      301
        10.00000000
       -10.00000000
         0.00000000
  
  
        1
    F  
    F  
    F  
    F  
    F  
    F  
    F  
    F  
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
        4
        4
       -1
    T  
    F  
    F  
    F  
    F  
    F  
  
  
        3
       -1
    F  
        12.01100000     18.99800000      1.00000000
         0.00000000      0.00000000      0.00000000
         1.00000000      1.00000000      1.00000000
    T  
  
   T  
   F  
       0
   F  
       0
  
   --
        1
    F  
   
    F  
    F  
    F  
    F  
    F  
        -1.00000000
        0
        0
         0.00000000
         0.00000000
         0.00000000
         1.00000000
         1.00000000
         1.00000000
         1.00000000
        1
        1
        1
    F  
    F  
    F  
        0
        0
    F  
         0.00000000
         0.00000000
        0
  
  
    F  
        -0.84910000
         0.12340000
         1.00000000
         0.00000000
  
  
        0
        32.00000000
         1.00000000
  
  
    F  
    F  
    F  
    F  
        0
         0.10000000
        -1.00000000
         0.00200000
        -0.10000000
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000      0.00000000
  
  
    F  
         0.00000000      0.00000000      0.00000000
    T  
    F  
    F  
    F  
    T  
        0
         0.00000000      0.00000000      0.00000000
         0.00000000      0.00000000      0.00000000
  
  
    F  
    F  
    F  
    F  
    T  
        0
       -1     0     0     0
    F  
    F  
    F  
    F  
    F  
    F  
        2
    F  
    F  
    F  
    F  
    F  
    F  
        -2.00000000
        -2.00000000
        -1.00000000
    F  
       -1
         0.00000000
        0
        0
       -1
       -1
       -1
      200
        1
        3
        4
        0
       -30.00000000
       -30.00000000
      -200.00000000
        0
        -0.10000000
    F  
    F  
    F  
    F  
    F  
    F  
    F  
        1
        1
        1
     2800
        0
       -1
       -1
         0.80000001
         1.00000000
  
  
         0.00000000
         0.00000000      0.00000000      0.00000000
         0.00000000
         0.00000000
         0.00000000
  
  
    F  
  
 
 
        12 
         3 
  
   ion
   element
   atomtype
   
    C    1
    C    1
    C    1
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    F    2
    H    3
    H    3
   
  
  
   type
   atomspertype
   element
   mass
   valence
   pseudopotential
   
       3C      12.01100000      4.00000000  PAW_PBE C 08Apr2002                   
       7F      18.99800000      7.00000000  PAW_PBE F 08Apr2002                   
       2H       1.00000000      1.00000000  PAW_PBE H 15Jun2001                   
   
  
 
 
  
   
          10.00000000       0.00000000       0.00000000 
           0.00000000       8.00000000       0.00000000 
           0.00000000       0.00000000       8.00000000 
   
       640.00000000 
   
           0.10000000       0.00000000       0.00000000 
           0.00000000       0.12500000       0.00000000 
           0.00000000       0.00000000       0.12500000 
   
  
  
          0.38536299       0.42919599       0.53490934 
          0.44215257       0.54382703       0.40456828 
          0.58026355       0.52624580       0.33275750 
          0.35108773       0.58318253       0.28272263 
          0.26233800       0.48416647       0.58289777 
          0.36932881       0.26713897       0.48445042 
          0.61832071       0.67316766       0.25875275 
          0.67093564       0.48939175       0.45342635 
          0.59031705       0.40552108       0.21240790 
          0.46466813       0.42518545       0.67260408 
          0.46209324       0.74652431       0.53868299 
          0.45152174       0.94452734       0.55966165 
  
 
 
  
      11.92   11.98
      12.19   12.25
   
         23.83307581 
       1527.42513088 
      -5894.95171742 
        330.61392537 
       4080.95378129 
      -4117.40366957 
         -0.00514578 
       -377.35953504 
       5082.48689363 
        655.59273917 
        655.59788495 
        655.59445443 
   
  
  
      15.24   15.25
      15.24   15.25
   
         89.88332523 
         89.87783904 
         89.88149650 
   
  
  
      12.86   12.87
      12.86   12.87
   
        -19.88602519 
        -19.87589409 
        -19.88264816 
   
  
  
      13.73   13.73
      13.73   13.73
   
        -23.34853402 
        -23.36518200 
        -23.35408335 
   
  
  
      15.06   15.06
      15.13   15.14
   
        -23.46315958 
        -23.48040597 
        -23.46890838 
   
  
  
      11.71   11.72
      12.06   12.07
   
         18.91142095 
         18.89933165 
         18.90739118 
   
  
  
      11.97   11.97
      12.32   12.32
   
        -29.49308343 
        -29.49890526 
        -29.49502404 
   
  
  
      12.01   12.01
      12.34   12.34
   
        -41.24959471 
        -41.25539285 
        -41.25152742 
   
  
  
      12.48   12.48
      12.81   12.82
   
        -53.12291567 
        -53.12871404 
        -53.12484846 
   
  
  
      13.91   13.92
      14.25   14.26
   
        -55.71203150 
        -55.72429173 
        -55.71611824 
   
  
  
      12.88   12.88
      13.22   13.22
   
        -55.56444441 
        -55.57539074 
        -55.56809319 
   
  
  
      11.36   11.36
      11.70   11.71
   
        -54.22436756 
        -54.23033657 
        -54.22635723 
   
  
  
      12.23   12.23
      12.57   12.58
   
        -55.30876547 
        -55.31456494 
        -55.31069863 
   
  
  
      13.14   13.15
      13.48   13.49
   
        -55.18037725 
        -55.18617713 
        -55.18231055 
   
  
  
      12.45   12.46
      12.81   12.81
   
        -54.72172564 
        -54.72752485 
        -54.72365871 
   
  
  
      11.74   11.75
      12.10   12.10
   
        -54.24837628 
        -54.25417493 
        -54.25030916 
   
  
  
      12.96   12.97
      13.32   13.32
   
        -53.86861141 
        -53.87440996 
        -53.87054426 
   
  
  
      13.73   13.73
      14.08   14.09
   
        -53.73340186 
        -53.73920039 
        -53.73533470 
   
  
  
      12.04   12.04
      12.42   12.42
   
        -54.26897679 
        -54.27477544 
        -54.27090968 
   
  
  
      12.78   12.79
      13.15   13.15
   
        -56.10173211 
        -56.10755407 
        -56.10367276 
   
  
  
      12.38   12.39
      12.74   12.74
   
        -56.32920080 
        -56.33564641 
        -56.33134933 
   
  
  
      12.36   12.37
      12.73   12.73
   
        -56.40585434 
        -56.41327313 
        -56.40832727 
   
  
  
      11.76   11.76
      12.12   12.13
   
        -56.42842340 
        -56.43638471 
        -56.43107717 
   
  
  
      10.21   10.21
      10.55   10.56
   
        -56.38356145 
        -56.39060169 
        -56.38590820 
   
  
  
       9.92    9.97
      10.27   10.31
   
        -56.23913903 
        -56.24524543 
        -56.24117449 
   
  
  
       8.59    8.60
       8.93    8.94
   
        -56.22603335 
        -56.23202270 
        -56.22802980 
   
  
  
       7.77    7.78
       8.12    8.13
   
        -56.42919423 
        -56.43794067 
        -56.43210971 
   
  
  
       7.28    7.29
       7.62    7.63
   
        -56.40165573 
        -56.40953739 
        -56.40428295 
   
  
  
       4.86    4.90
       5.20    5.25
   
        -56.38301863 
        -56.39048098 
        -56.38550608 
   
  
  
       1.02    1.10
       1.39    1.47
   
        -56.27041896 
        -56.27660546 
        -56.27248113 
   
  
  
       0.97    0.98
       1.31    1.31
   
        -55.92162004 
        -55.92742875 
        -55.92355628 
   
  
  
       1.05    1.05
       1.38    1.39
   
        -55.80749263 
        -55.81329592 
        -55.80942706 
   
  
  
       0.97    0.97
       1.31    1.31
   
        -55.71896101 
        -55.72476063 
        -55.72089421 
   
  
  
       1.03    1.03
       1.37    1.37
   
        -55.61571057 
        -55.62150952 
        -55.61764355 
   
  
  
       0.97    0.98
       1.32    1.32
   
        -55.54416201 
        -55.54996071 
        -55.54609491 
   
  
  
       0.96    0.96
       1.31    1.31
   
        -55.61542243 
        -55.62122138 
        -55.61735541 
   
  
  
       0.99    1.00
       1.34    1.34
   
        -55.76084527 
        -55.76664596 
        -55.76277883 
   
  
  
       1.00    1.00
       1.35    1.35
   
        -55.99168958 
        -55.99751483 
        -55.99363133